{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" [ 9.77067 9.115999 8.71026 8.415469 8.183799 7.992929 7.830618 7.689421 7.564472 7.452414 7.350835 7.257941 7.172363 7.093033 7.019099 6.949876 6.884797 6.823395 6.765276 6.710107 6.657603 6.607518 6.559639 6.51378 6.48256 6.449703 6.415026 6.378317 6.339323 6.297739 6.253198 6.205246 6.153317 6.096692 6.034436 5.965303 5.887585 5.798841 5.69542 5.571483 5.416826 5.21102 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.77067e-10 9.115999000000001e-10 8.71026e-10 8.415469e-10 8.183799000000001e-10 7.992929e-10 7.830618e-10 7.689421000000001e-10 7.564472e-10 7.452414e-10 7.350835e-10 7.257941e-10 7.172363000000001e-10 7.093033e-10 7.019099e-10 6.949876e-10 6.884797e-10 6.823395e-10 6.765276e-10 6.710107e-10 6.657603e-10 6.607518e-10 6.559639e-10 6.51378e-10 6.482560000000001e-10 6.449703000000001e-10 6.415026e-10 6.378317e-10 6.339323e-10 6.297739e-10 6.253198e-10 6.205246e-10 6.153317e-10 6.096692e-10 6.034436e-10 5.965303e-10 5.887585e-10 5.798841e-10 5.695420000000001e-10 5.571483e-10 5.416826e-10 5.211020000000001e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.984772 1.43846 1.76318 2.01522 2.21916 2.38836 2.53105 2.65268 2.75712 2.84718 2.92504 2.99236 3.05048 3.10051 3.14332 3.17968 3.21021 3.23546 3.2559 3.27193 3.2839 3.29212 3.29688 3.29842 3.29768 3.29528 3.29086 3.28399 3.27411 3.26049 3.24223 3.21808 3.18639 3.14489 3.09036 3.01811 2.92105 2.78799 2.60009 2.32311 1.88755 1.12675 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5777786752184577e-19 2.304666981955968e-19 2.8249257742621443e-19 3.228738369768576e-19 3.555486269814528e-19 3.826574554053888e-19 4.0551891360758404e-19 4.2500618784637447e-19 4.417393204740096e-19 4.561685231209344e-19 4.686430702904832e-19 4.794289233017088e-19 4.887407738217984e-19 4.967564634556608e-19 5.036153815693056e-19 5.094408957625344e-19 5.143323409858369e-19 5.183778369533568e-19 5.21652685966272e-19 5.242209750894144e-19 5.26138780504512e-19 5.274557696868097e-19 5.282184057583104e-19 5.284651409579137e-19 5.283465798879744e-19 5.279620574989824e-19 5.272538954325888e-19 5.261532000940992e-19 5.245702495927488e-19 5.223880850352192e-19 5.194625105256385e-19 5.155932539864064e-19 5.105159562750912e-19 5.038669232987713e-19 4.951302541855489e-19 4.835545281002689e-19 4.680038018187841e-19 4.466852397024193e-19 4.165803409975872e-19 3.722032529546688e-19 3.0241884805910404e-19 1.8052525074864e-19 ] } }